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157367-58-3

157367-58-3 | 6,7-Dioxabicyclo[3.2.2]nonane, 1,5-bis(4-methoxyphenyl)-

CAS No: 157367-58-3 Catalog No: AG001PF5 MDL No:

Product Description

Catalog Number:
AG001PF5
Chemical Name:
6,7-Dioxabicyclo[3.2.2]nonane, 1,5-bis(4-methoxyphenyl)-
CAS Number:
157367-58-3
Molecular Formula:
C21H24O4
Molecular Weight:
340.4129
IUPAC Name:
1,5-bis(4-methoxyphenyl)-6,7-dioxabicyclo[3.2.2]nonane
InChI:
InChI=1S/C21H24O4/c1-22-18-8-4-16(5-9-18)20-12-3-13-21(15-14-20,25-24-20)17-6-10-19(23-2)11-7-17/h4-11H,3,12-15H2,1-2H3
InChI Key:
FZFAHCBBNWRWFF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C12CCCC(CC1)(OO2)c1ccc(cc1)OC

Properties

Complexity:
399  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.167g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.419g/mol
Monoisotopic Mass:
340.167g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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